2-chloro-6-(3,3-difluoropyrrolidin-1-yl)-4-pyridin-3-ylpyridine

C14H12ClF2N3 — CID 90015001

IUPAC2-chloro-6-(3,3-difluoropyrrolidin-1-yl)-4-pyridin-3-ylpyridine
SMILESFC1(F)CCN(c2cc(-c3cccnc3)cc(Cl)n2)C1
InChIInChI=1S/C14H12ClF2N3/c15-12-6-11(10-2-1-4-18-8-10)7-13(19-12)20-5-3-14(16,17)9-20/h1-2,4,6-8H,3,5,9H2
InChIKeyNJFXOAPTKHNWDG-UHFFFAOYSA-N
MW295.72 g/mol
LogP3.64
Rot. Bonds2

About 2-chloro-6-(3,3-difluoropyrrolidin-1-yl)-4-pyridin-3-ylpyridine

2-chloro-6-(3,3-difluoropyrrolidin-1-yl)-4-pyridin-3-ylpyridine (PubChem CID 90015001) has the molecular formula C14H12ClF2N3 and a molecular weight of 295.72 g/mol. Its IUPAC name is 2-chloro-6-(3,3-difluoropyrrolidin-1-yl)-4-pyridin-3-ylpyridine.

Molecular Properties

Compound Name2-chloro-6-(3,3-difluoropyrrolidin-1-yl)-4-pyridin-3-ylpyridine
PubChem CID90015001
Molecular FormulaC14H12ClF2N3
Molecular Weight295.72 g/mol
Exact Mass295.07
IUPAC Name2-chloro-6-(3,3-difluoropyrrolidin-1-yl)-4-pyridin-3-ylpyridine
SMILESFC1(F)CCN(c2cc(-c3cccnc3)cc(Cl)n2)C1
InChIInChI=1S/C14H12ClF2N3/c15-12-6-11(10-2-1-4-18-8-10)7-13(19-12)20-5-3-14(16,17)9-20/h1-2,4,6-8H,3,5,9H2
InChIKeyNJFXOAPTKHNWDG-UHFFFAOYSA-N
XLogP3.64
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.72
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

2-chloro-6-(3,3-difluoropyrrolidin-1-yl)pyridine
CID 131116353
4-chloro-6-(3,3-difluoropyrrolidin-1-yl)-2-ethoxypyrimidine
CID 175640130
4-chloro-6-piperazin-1-yl-2-pyridin-3-ylpyrimidine
CID 175342274
3'-(3,3-difluoropyrrolidin-1-yl)-7'-pyridin-3-ylspiro[5H-1,3-oxazole-4,5'-chromeno[2,3-c]pyridine]-2-amine
CID 67436461
6-chloro-2-(3,3-difluoropyrrolidin-1-yl)quinoline
CID 163351362
2-chloro-6-(3,3-difluoropyrrolidin-1-yl)-4-[1-(oxetan-3-yl)piperidin-4-yl]pyridine
CID 90015405
4-chloro-6-morpholin-4-yl-N-(3-pyridin-3-ylphenyl)pyrimidin-2-amine
CID 59333833
1-(6-chloro-4-phenyl-2-pyridinyl)-4-ethenylpiperazine
CID 163525747
4-bromo-6-(3,3-difluoropyrrolidin-1-yl)-2-methylpyrimidine
CID 131093374
3-(6-chloronaphthalen-2-yl)pyridine
CID 173397093
2-chloro-4-(4,4-difluoropiperidin-1-yl)pyridine
CID 121204880
3-bromo-2-(3,3-difluoropyrrolidin-1-yl)pyridine
CID 86810762

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-(3,3-difluoropyrrolidin-1-yl)-4-pyridin-3-ylpyridine?
The IUPAC name of 2-chloro-6-(3,3-difluoropyrrolidin-1-yl)-4-pyridin-3-ylpyridine (CID 90015001) is 2-chloro-6-(3,3-difluoropyrrolidin-1-yl)-4-pyridin-3-ylpyridine.
What is the SMILES notation for 2-chloro-6-(3,3-difluoropyrrolidin-1-yl)-4-pyridin-3-ylpyridine?
The canonical SMILES for 2-chloro-6-(3,3-difluoropyrrolidin-1-yl)-4-pyridin-3-ylpyridine is FC1(F)CCN(c2cc(-c3cccnc3)cc(Cl)n2)C1.
What is the InChIKey of 2-chloro-6-(3,3-difluoropyrrolidin-1-yl)-4-pyridin-3-ylpyridine?
The InChIKey is NJFXOAPTKHNWDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClF2N3/c15-12-6-11(10-2-1-4-18-8-10)7-13(19-12)20-5-3-14(16,17)9-20/h1-2,4,6-8H,3,5,9H2.
What are the key properties of 2-chloro-6-(3,3-difluoropyrrolidin-1-yl)-4-pyridin-3-ylpyridine?
2-chloro-6-(3,3-difluoropyrrolidin-1-yl)-4-pyridin-3-ylpyridine has a molecular weight of 295.72 g/mol, XLogP of 3.64, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-(3,3-difluoropyrrolidin-1-yl)-4-pyridin-3-ylpyridine is sourced from PubChem (CID 90015001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).